Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
4D9H Chain:A ((22-251))
-SVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFY-NDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEE-TTAEERQTTFHDMIDVALHSVS--
General information:
TITO was launched using:
RESULT:
Template:
4D9H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156582 for 2011 contacts (-77.9/contact) +
2D Compatibility (PS) -24928 + (NN) -11587 + (LL) 280
1D Compatibility (HY) -24800 + (ID) 6150
Total energy: -223767.0 ( -111.27 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_4D9H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4D9H-query.scw
PDB file :
Tito_Scwrl_4D9H.pdb
: